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DocumentationIdentifier: MM334517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334517 |
| SMILES |
C#CC(=N)NC(C=C)=CC
|
| InChIKey |
OFSBRJJJSBULPI-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7482 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
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Total active interactions
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
